5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde

C11H8BrNO2S — CID 79794312

IUPAC5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2sccc2Br)cn1
InChIInChI=1S/C11H8BrNO2S/c12-10-3-4-16-11(10)7-15-9-2-1-8(6-14)13-5-9/h1-6H,7H2
InChIKeyJGQCIYNJAPFBIW-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.30
Rot. Bonds4

About 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde

5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde (PubChem CID 79794312) has the molecular formula C11H8BrNO2S and a molecular weight of 298.16 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
PubChem CID79794312
Molecular FormulaC11H8BrNO2S
Molecular Weight298.16 g/mol
Exact Mass296.95
IUPAC Name5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2sccc2Br)cn1
InChIInChI=1S/C11H8BrNO2S/c12-10-3-4-16-11(10)7-15-9-2-1-8(6-14)13-5-9/h1-6H,7H2
InChIKeyJGQCIYNJAPFBIW-UHFFFAOYSA-N
XLogP3.30
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde (CID 79794312) is 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde is O=Cc1ccc(OCc2sccc2Br)cn1.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is JGQCIYNJAPFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2S/c12-10-3-4-16-11(10)7-15-9-2-1-8(6-14)13-5-9/h1-6H,7H2.
What are the key properties of 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde?
5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 298.16 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 79794312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).